Inputs and outputs to the Sandia battery-abuse modeling program, focusing on bridging the gap between atomistic and cell-level simulations. Each link in the chain builds on the results from the previous, finer-detail stage to ultimately deliver an accurate predictive capability to assess new battery chemistries before building prototypes.

Many vital needs in worldwide energy production, from electrifying trans­portation to enhancing renewable-energy production, depend on developing economical, reliable batteries with improved performance and safety. Meeting these needs will require dramatic changes in electrical energy storage materials and chemistries. New methods and computational capabilities offer the potential that modeling and simulation can fundamentally advance improved materials development for battery applications. Energy storage materials and materials-related issues span a wide breadth of length scales and disciplines.

Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-AC04-94AL85000.